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	hartrees
Energy at 0K	-118.775273
Energy at 298.15K	-118.783699
HF Energy	-118.276719
Nuclear repulsion energy	82.547320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	2998	56.09
2	A₁	3091	2922	6.72
3	A₁	3087	2919	47.32
4	A₁	1558	1473	3.83
5	A₁	1538	1454	0.17
6	A₁	1472	1392	2.53
7	A₁	1213	1147	0.44
8	A₁	902	853	0.50
9	A₁	375	354	0.00
10	A₂	3160	2987	0.00
11	A₂	1536	1452	0.00
12	A₂	1344	1271	0.00
13	A₂	929	879	0.00
14	A₂	225	213	0.00
15	B₁	3169	2996	107.23
16	B₁	3124	2954	5.78
17	B₁	1552	1467	12.24
18	B₁	1254	1186	0.00
19	B₁	767	725	1.30
20	B₁	283	267	0.00
21	B₂	3169	2996	31.63
22	B₂	3085	2917	40.40
23	B₂	1542	1458	1.88
24	B₂	1460	1380	4.39
25	B₂	1411	1334	2.13
26	B₂	1097	1037	0.38
27	B₂	953	901	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.271	-0.261
C3	0.000	-1.271	-0.261
H4	0.876	0.000	1.244
H5	-0.876	0.000	1.244
H6	0.000	2.168	0.362
H7	0.000	-2.168	0.362
H8	0.883	1.308	-0.904
H9	-0.883	1.308	-0.904
H10	-0.883	-1.308	-0.904
H11	0.883	-1.308	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5290	1.5290	1.0942	1.0942	2.1801	2.1801	2.1724	2.1724	2.1724	2.1724
C2	1.5290		2.5428	2.1559	2.1559	1.0918	3.4955	1.0929	1.0929	2.8014	2.8014
C3	1.5290	2.5428		2.1559	2.1559	3.4955	1.0918	2.8014	2.8014	1.0929	1.0929
H4	1.0942	2.1559	2.1559		1.7528	2.4995	2.4995	2.5150	3.0691	3.0691	2.5150
H5	1.0942	2.1559	2.1559	1.7528		2.4995	2.4995	3.0691	2.5150	2.5150	3.0691
H6	2.1801	1.0918	3.4955	2.4995	2.4995		4.3365	1.7666	1.7666	3.8037	3.8037
H7	2.1801	3.4955	1.0918	2.4995	2.4995	4.3365		3.8037	3.8037	1.7666	1.7666
H8	2.1724	1.0929	2.8014	2.5150	3.0691	1.7666	3.8037		1.7653	3.1564	2.6166
H9	2.1724	1.0929	2.8014	3.0691	2.5150	1.7666	3.8037	1.7653		2.6166	3.1564
H10	2.1724	2.8014	1.0929	3.0691	2.5150	3.8037	1.7666	3.1564	2.6166		1.7653
H11	2.1724	2.8014	1.0929	2.5150	3.0691	3.8037	1.7666	2.6166	3.1564	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.488	C1	C2	H8	110.801
C1	C2	H9	110.801	C1	C3	H7	111.488
C1	C3	H10	110.801	C1	C3	H11	110.801
C2	C1	C3	112.504	C2	C1	H4	109.427
C2	C1	H5	109.427	C3	C1	H4	109.427
C3	C1	H5	109.427	H4	C1	H5	106.444
H6	C2	H8	107.932	H6	C2	H9	107.932
H7	C3	H10	107.932	H7	C3	H11	107.932
H8	C2	H9	107.738	H10	C3	H11	107.738

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: QCISD/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H8 (Propane)

using model chemistry: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₃H₈ (Propane)